![3-Azabutanol, 4-[2-phenylcyclopropyl]-](/api/spectrum/6Jopz3jHp1R/structure.png?h=300&w=458 "3-Azabutanol, 4-[2-phenylcyclopropyl]-")
| SpectraBase Compound ID | BQXReV7pbow |
|---|---|
| InChI | InChI=1S/C12H17NO/c14-7-6-13-9-11-8-12(11)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2 |
| InChIKey | SSKJWHOIIKXBRN-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Jopz3jHp1R |
|---|---|
| Name | 3-Azabutanol, 4-[2-phenylcyclopropyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c14-7-6-13-9-11-8-12(11)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2 |
| InChIKey | SSKJWHOIIKXBRN-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1(CC1CNCCO)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943653 |